2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C21H27N3O2 — CID 109009287

IUPAC2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(C)Oc1ccccc1NCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(2)26-20-8-4-3-7-19(20)22-15-21(25)23-17-9-11-18(12-10-17)24-13-5-6-14-24/h3-4,7-12,16,22H,5-6,13-15H2,1-2H3,(H,23,25)
InChIKeyLZGVDEBMFOCVEQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.12
Rot. Bonds7

About 2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 109009287) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID109009287
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCC(C)Oc1ccccc1NCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(2)26-20-8-4-3-7-19(20)22-15-21(25)23-17-9-11-18(12-10-17)24-13-5-6-14-24/h3-4,7-12,16,22H,5-6,13-15H2,1-2H3,(H,23,25)
InChIKeyLZGVDEBMFOCVEQ-UHFFFAOYSA-N
XLogP4.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54831212
N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108987317
2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
methyl 2-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]benzoate
CID 55434513
N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834093
N-naphthalen-2-yl-2-(2-propan-2-yloxyanilino)acetamide
CID 54831213
2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109010505
3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109039433
2-(2-morpholin-4-ylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109010529
2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 60587672
3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040218

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 109009287) is 2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is CC(C)Oc1ccccc1NCC(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is LZGVDEBMFOCVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(2)26-20-8-4-3-7-19(20)22-15-21(25)23-17-9-11-18(12-10-17)24-13-5-6-14-24/h3-4,7-12,16,22H,5-6,13-15H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 109009287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).